SCHEMBL3429487

SCHEMBL3429487

COc1cccc2ncnc(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.51
KCNA5 P22460 1/20 0.47
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
DCPS Q96C86 1/20 0.44
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NQO2 P16083 2/20 0.41
ELANE P08246 1/20 0.41
RET P07949 4/20 0.40
KIF5B P33176 4/20 0.40
KDR P35968 4/20 0.40
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17827789 0.83 GAA (0.43) EGFRKCNA5KDM4EALDH1A1LMNA
SCHEMBL1192087 0.82 EGFR (0.45) EGFRLMNACYP3A4RETKDR
SCHEMBL26313711 0.80 EGFR (0.52) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL1478679 0.79 KMT2A (0.54) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL30782464 0.79 KMT2A (0.54) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL18312193 0.79 DCPS (0.60) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL8807272 0.77 EGFR (0.48) EGFRHPGDKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL28184981 0.77 DCPS (0.58) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL25249562 0.76 RET (0.39) EGFRCYP3A4RETKIF5BKDR
SCHEMBL21348047 0.76 EGFR (0.49) EGFRKCNA5HPGDKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 EGFR 1800/4885KCNA5 3044/4885HPGD 74/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.